[gmx-users] problem about rmsd

sudheer babu sudheer.pbm07 at gmail.com
Fri Mar 21 18:24:10 CET 2008

Thanks for your reply,
I am mentioning commands, from crashing the simulation
1. tpbconv  -f  protein.trr  -s protein.tpr -e protein.edr -n index.ndx -o
2.mdrun -v -deffnm -o out.tpr
3.trjcat -f 633ps_pro.xtc 1ns_pro.xtc -settime -o
  it asked time I mentioned  0 and 633, then it shown that 900ps trajectory
files wirte into trjout.xtc
4.g_rms -f trjout.xtc -s em_wat.gro -pbc -o 1ns_rmsd
5. by using this plotted graph it shown values till 900ps on x-axis in
is there any way to get 1000ps simulation values?
Thanks in advance.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080321/d427c145/attachment.html>

More information about the gromacs.org_gmx-users mailing list